Data Item _refine_ls_shell.R_factor_R_work


Item name
Category name
Attribute name
Required in PDB entries
Used in current PDB entries
Yes, in about 74.9 % of entries

Item Description

Residual factor R for reflections that satisfy the resolution limits established by _refine_ls_shell.d_res_high and _refine_ls_shell.d_res_low and the observation limit established by _reflns.observed_criterion, and that were used as the working reflections (i.e. were included in the refinement) when the refinement included the calculation of a 'free' R factor. Details of how reflections were assigned to the working and test sets are given in _reflns.R_free_details. sum|Fobs - Fcalc| R = --------------------- sum|Fobs| Fobs = the observed structure-factor amplitudes Fcalc = the calculated structure-factor amplitudes sum is taken over the specified reflections

Additional Descriptive Information for Depositors

 Within the indicated shell,  Sum(abs((abs(F-obs)-abs(F-calc)))/Sum(abs(F-obs)) on working data, i.e. the data used in calculating the structural model throughout the structure solution and refinement process

Data Type

Data type code
Data type detail
float item types are the subset of numbers that are the floating numbers.
Primitive data type code
Regular expression

Allowed Boundary Conditions

Minimum Value Maximum Value


Advisory Boundary Conditions

Minimum Value Maximum Value
0.1 0.35
0 1